ethane;[(2R,3E)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)pent-4-en-2-yl]urea;molecular hydrogen

C15H26N2O — CID 144524367

IUPACethane;[(2R,3E)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)pent-4-en-2-yl]urea;molecular hydrogen
SMILESC=C/C(=c1/ccccc1=C)[C@@H](C)NC(N)=O.CC.[H][H].[H][H]
InChIInChI=1S/C13H16N2O.C2H6.2H2/c1-4-11(10(3)15-13(14)16)12-8-6-5-7-9(12)2;1-2;;/h4-8,10H,1-2H2,3H3,(H3,14,15,16);1-2H3;2*1H/b12-11+;;;/t10-;;;/m1.../s1
InChIKeyJGNVAGHBGVNIEN-LGSFCPPSSA-N
MW250.39 g/mol
LogP2.01
Rot. Bonds3

About ethane;[(2R,3E)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)pent-4-en-2-yl]urea;molecular hydrogen

ethane;[(2R,3E)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)pent-4-en-2-yl]urea;molecular hydrogen (PubChem CID 144524367) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is ethane;[(2R,3E)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)pent-4-en-2-yl]urea;molecular hydrogen.

Molecular Properties

Compound Nameethane;[(2R,3E)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)pent-4-en-2-yl]urea;molecular hydrogen
PubChem CID144524367
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Nameethane;[(2R,3E)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)pent-4-en-2-yl]urea;molecular hydrogen
SMILESC=C/C(=c1/ccccc1=C)[C@@H](C)NC(N)=O.CC.[H][H].[H][H]
InChIInChI=1S/C13H16N2O.C2H6.2H2/c1-4-11(10(3)15-13(14)16)12-8-6-5-7-9(12)2;1-2;;/h4-8,10H,1-2H2,3H3,(H3,14,15,16);1-2H3;2*1H/b12-11+;;;/t10-;;;/m1.../s1
InChIKeyJGNVAGHBGVNIEN-LGSFCPPSSA-N
XLogP2.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 286070
3,4,7,8-Tetrahydroquinazolin-2(1h)-one
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(6-Fluoro-3-methylidenehepta-4,6-dien-2-yl)urea
CID 123389312
(3-Fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)urea
CID 123540131
1-(2-Fluorocyclohexa-2,4-dien-1-yl)-3-heptan-4-ylurea
CID 137427175
[(2Z)-3-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]urea
CID 142108318
(6-Fluorocyclohexa-1,5-dien-1-yl)methylurea
CID 144293774
1-[(2E,4E)-2-ethenylhexa-2,4-dienyl]-3-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]urea;fluoroform
CID 167645088
1-[(2E)-2-ethenylpenta-2,4-dienyl]-3-[(5E)-7,7,7-trifluorohepta-1,5-dien-4-yl]urea
CID 167658308
1-Buta-1,3-dien-2-yl-3-[1-(4-fluorocyclohexa-1,5-dien-1-yl)ethyl]urea
CID 143509226
1-[(2E,4E)-2-ethenylhexa-2,4-dienyl]-3-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]urea
CID 167645089
Cyclohexa-2,4-dien-1-ylurea
CID 18187419

Frequently Asked Questions

What is the IUPAC name of ethane;[(2R,3E)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)pent-4-en-2-yl]urea;molecular hydrogen?
The IUPAC name of ethane;[(2R,3E)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)pent-4-en-2-yl]urea;molecular hydrogen (CID 144524367) is ethane;[(2R,3E)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)pent-4-en-2-yl]urea;molecular hydrogen.
What is the SMILES notation for ethane;[(2R,3E)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)pent-4-en-2-yl]urea;molecular hydrogen?
The canonical SMILES for ethane;[(2R,3E)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)pent-4-en-2-yl]urea;molecular hydrogen is C=C/C(=c1/ccccc1=C)[C@@H](C)NC(N)=O.CC.[H][H].[H][H].
What is the InChIKey of ethane;[(2R,3E)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)pent-4-en-2-yl]urea;molecular hydrogen?
The InChIKey is JGNVAGHBGVNIEN-LGSFCPPSSA-N. The full InChI is InChI=1S/C13H16N2O.C2H6.2H2/c1-4-11(10(3)15-13(14)16)12-8-6-5-7-9(12)2;1-2;;/h4-8,10H,1-2H2,3H3,(H3,14,15,16);1-2H3;2*1H/b12-11+;;;/t10-;;;/m1.../s1.
What are the key properties of ethane;[(2R,3E)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)pent-4-en-2-yl]urea;molecular hydrogen?
ethane;[(2R,3E)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)pent-4-en-2-yl]urea;molecular hydrogen has a molecular weight of 250.39 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[(2R,3E)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)pent-4-en-2-yl]urea;molecular hydrogen is sourced from PubChem (CID 144524367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).