7-hydroxyhept-1-en-4-yl carbamate

C8H15NO3 — CID 175099859

IUPAC7-hydroxyhept-1-en-4-yl carbamate
SMILESC=CCC(CCCO)OC(N)=O
InChIInChI=1S/C8H15NO3/c1-2-4-7(5-3-6-10)12-8(9)11/h2,7,10H,1,3-6H2,(H2,9,11)
InChIKeyRVDJOMIEXDDMHS-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.80
Rot. Bonds6

About 7-hydroxyhept-1-en-4-yl carbamate

7-hydroxyhept-1-en-4-yl carbamate (PubChem CID 175099859) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 7-hydroxyhept-1-en-4-yl carbamate.

Molecular Properties

Compound Name7-hydroxyhept-1-en-4-yl carbamate
PubChem CID175099859
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name7-hydroxyhept-1-en-4-yl carbamate
SMILESC=CCC(CCCO)OC(N)=O
InChIInChI=1S/C8H15NO3/c1-2-4-7(5-3-6-10)12-8(9)11/h2,7,10H,1,3-6H2,(H2,9,11)
InChIKeyRVDJOMIEXDDMHS-UHFFFAOYSA-N
XLogP0.80
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-1-hydroxypent-4-en-2-yl] carbamate
CID 175099114
3-(1-hydroxyhex-5-en-3-yloxy)hex-5-en-1-ol
CID 139513174
non-1-en-4-yl propanoate
CID 139804434
nonadec-1-en-4-yl prop-2-enoate
CID 11393552
1-phenylbut-3-enyl carbamate
CID 126509930
4-chlorohept-6-en-1-ol
CID 89276992
oct-1-en-4-yloxymethanedithioic acid
CID 88696444
3-hydroxypropyl 2-formylpent-4-enoate
CID 57091353
tert-butyl [(4R)-heptadec-1-en-4-yl] carbonate
CID 46834775
4-hepta-1,6-dien-4-yloxyhepta-1,6-diene
CID 23055063
12-carbamoyloxyoctadec-9-enoic acid
CID 123486535
5-aminooct-7-en-1-ol
CID 130023332

Frequently Asked Questions

What is the IUPAC name of 7-hydroxyhept-1-en-4-yl carbamate?
The IUPAC name of 7-hydroxyhept-1-en-4-yl carbamate (CID 175099859) is 7-hydroxyhept-1-en-4-yl carbamate.
What is the SMILES notation for 7-hydroxyhept-1-en-4-yl carbamate?
The canonical SMILES for 7-hydroxyhept-1-en-4-yl carbamate is C=CCC(CCCO)OC(N)=O.
What is the InChIKey of 7-hydroxyhept-1-en-4-yl carbamate?
The InChIKey is RVDJOMIEXDDMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-2-4-7(5-3-6-10)12-8(9)11/h2,7,10H,1,3-6H2,(H2,9,11).
What are the key properties of 7-hydroxyhept-1-en-4-yl carbamate?
7-hydroxyhept-1-en-4-yl carbamate has a molecular weight of 173.21 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxyhept-1-en-4-yl carbamate is sourced from PubChem (CID 175099859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).