1-cyclobutyl-3-prop-1-en-2-ylurea;molecular hydrogen

C8H18N2O — CID 156707696

IUPAC1-cyclobutyl-3-prop-1-en-2-ylurea;molecular hydrogen
SMILESC=C(C)NC(=O)NC1CCC1.[H][H].[H][H]
InChIInChI=1S/C8H14N2O.2H2/c1-6(2)9-8(11)10-7-4-3-5-7;;/h7H,1,3-5H2,2H3,(H2,9,10,11);2*1H
InChIKeyNTMPMAWOYYHCRW-UHFFFAOYSA-N
MW158.25 g/mol
LogP1.86
Rot. Bonds2

About 1-cyclobutyl-3-prop-1-en-2-ylurea;molecular hydrogen

1-cyclobutyl-3-prop-1-en-2-ylurea;molecular hydrogen (PubChem CID 156707696) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is 1-cyclobutyl-3-prop-1-en-2-ylurea;molecular hydrogen.

Molecular Properties

Compound Name1-cyclobutyl-3-prop-1-en-2-ylurea;molecular hydrogen
PubChem CID156707696
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Name1-cyclobutyl-3-prop-1-en-2-ylurea;molecular hydrogen
SMILESC=C(C)NC(=O)NC1CCC1.[H][H].[H][H]
InChIInChI=1S/C8H14N2O.2H2/c1-6(2)9-8(11)10-7-4-3-5-7;;/h7H,1,3-5H2,2H3,(H2,9,10,11);2*1H
InChIKeyNTMPMAWOYYHCRW-UHFFFAOYSA-N
XLogP1.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 67476804
1-Cyclopentyl-3-prop-1-en-2-ylurea
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CID 84357823
1-Cyclohexyl-3-prop-1-en-2-ylurea
CID 89395424
1-Ethyl-3-prop-1-en-2-ylurea
CID 89887483
1-Propan-2-yl-3-prop-1-en-2-ylurea
CID 108910164
Ethane;1-methyl-3-prop-1-en-2-ylurea
CID 143757770
1-Cyclobutyl-3-methylurea;ethane
CID 144262774
1-Cyclobutyl-3,3-dimethyl-1-prop-1-en-2-ylurea;ethane
CID 144956343
Ethane;1-methyl-3-prop-1-en-2-ylurea;molecular hydrogen
CID 145642159
1-Cyclobutyl-3-propan-2-ylurea;molecular hydrogen
CID 155714951
1-Ethyl-1-propan-2-yl-3-prop-1-en-2-ylurea
CID 170052469

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-prop-1-en-2-ylurea;molecular hydrogen?
The IUPAC name of 1-cyclobutyl-3-prop-1-en-2-ylurea;molecular hydrogen (CID 156707696) is 1-cyclobutyl-3-prop-1-en-2-ylurea;molecular hydrogen.
What is the SMILES notation for 1-cyclobutyl-3-prop-1-en-2-ylurea;molecular hydrogen?
The canonical SMILES for 1-cyclobutyl-3-prop-1-en-2-ylurea;molecular hydrogen is C=C(C)NC(=O)NC1CCC1.[H][H].[H][H].
What is the InChIKey of 1-cyclobutyl-3-prop-1-en-2-ylurea;molecular hydrogen?
The InChIKey is NTMPMAWOYYHCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O.2H2/c1-6(2)9-8(11)10-7-4-3-5-7;;/h7H,1,3-5H2,2H3,(H2,9,10,11);2*1H.
What are the key properties of 1-cyclobutyl-3-prop-1-en-2-ylurea;molecular hydrogen?
1-cyclobutyl-3-prop-1-en-2-ylurea;molecular hydrogen has a molecular weight of 158.25 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-prop-1-en-2-ylurea;molecular hydrogen is sourced from PubChem (CID 156707696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).