2-ethylhepta-2,4-dienylurea

C10H18N2O — CID 89030350

IUPAC2-ethylhepta-2,4-dienylurea
SMILESCCC=CC=C(CC)CNC(N)=O
InChIInChI=1S/C10H18N2O/c1-3-5-6-7-9(4-2)8-12-10(11)13/h5-7H,3-4,8H2,1-2H3,(H3,11,12,13)
InChIKeyUQNDBNLIDIAREC-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.96
Rot. Bonds5

About 2-ethylhepta-2,4-dienylurea

2-ethylhepta-2,4-dienylurea (PubChem CID 89030350) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-ethylhepta-2,4-dienylurea.

Molecular Properties

Compound Name2-ethylhepta-2,4-dienylurea
PubChem CID89030350
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-ethylhepta-2,4-dienylurea
SMILESCCC=CC=C(CC)CNC(N)=O
InChIInChI=1S/C10H18N2O/c1-3-5-6-7-9(4-2)8-12-10(11)13/h5-7H,3-4,8H2,1-2H3,(H3,11,12,13)
InChIKeyUQNDBNLIDIAREC-UHFFFAOYSA-N
XLogP1.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,4Z)-2-methylhepta-2,4-dienamide
CID 143129883
acetamide;(4E,6E)-4-[(Z)-prop-1-enyl]nona-4,6-dien-3-one
CID 143358490
ethane;N-[(2E)-2-ethylpenta-2,4-dienyl]acetamide
CID 142287252
(3E,5E)-octa-3,5-dienamide
CID 55289592
carbamic acid;(Z)-hex-3-ene
CID 158256779
carbamic acid;hex-3-ene
CID 175321124
(2E,4Z)-N-ethylhepta-2,4-dien-2-amine
CID 166776251
3-oxopentylurea
CID 19425945
ethyl 2-(carbamoyl(15N)amino)acetate
CID 46781708
2-(carbamoylamino)acetic acid
CID 87288569
(2Z,4E)-2-ethyl-N-methylhexa-2,4-dien-1-amine
CID 55298161
[(2E,4E)-hepta-2,4-dienyl] carbamate
CID 125475387

Frequently Asked Questions

What is the IUPAC name of 2-ethylhepta-2,4-dienylurea?
The IUPAC name of 2-ethylhepta-2,4-dienylurea (CID 89030350) is 2-ethylhepta-2,4-dienylurea.
What is the SMILES notation for 2-ethylhepta-2,4-dienylurea?
The canonical SMILES for 2-ethylhepta-2,4-dienylurea is CCC=CC=C(CC)CNC(N)=O.
What is the InChIKey of 2-ethylhepta-2,4-dienylurea?
The InChIKey is UQNDBNLIDIAREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-3-5-6-7-9(4-2)8-12-10(11)13/h5-7H,3-4,8H2,1-2H3,(H3,11,12,13).
What are the key properties of 2-ethylhepta-2,4-dienylurea?
2-ethylhepta-2,4-dienylurea has a molecular weight of 182.27 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhepta-2,4-dienylurea is sourced from PubChem (CID 89030350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).