carbamic acid;(E)-hex-2-ene

C7H15NO2 — CID 174912639

IUPACcarbamic acid;(E)-hex-2-ene
SMILESC/C=C/CCC.NC(=O)O
InChIInChI=1S/C6H12.CH3NO2/c1-3-5-6-4-2;2-1(3)4/h3,5H,4,6H2,1-2H3;2H2,(H,3,4)/b5-3+;
InChIKeyIRJQLXGBDIHGPI-WGCWOXMQSA-N
MW145.20 g/mol
LogP1.99
Rot. Bonds2

About carbamic acid;(E)-hex-2-ene

carbamic acid;(E)-hex-2-ene (PubChem CID 174912639) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is carbamic acid;(E)-hex-2-ene.

Molecular Properties

Compound Namecarbamic acid;(E)-hex-2-ene
PubChem CID174912639
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Namecarbamic acid;(E)-hex-2-ene
SMILESC/C=C/CCC.NC(=O)O
InChIInChI=1S/C6H12.CH3NO2/c1-3-5-6-4-2;2-1(3)4/h3,5H,4,6H2,1-2H3;2H2,(H,3,4)/b5-3+;
InChIKeyIRJQLXGBDIHGPI-WGCWOXMQSA-N
XLogP1.99
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;(E)-hex-2-ene
CID 174958018
ethane;(E)-hex-2-ene
CID 142405633
(6Z)-deca-2,6-diene
CID 159397578
butane;ethane;(E)-hex-2-ene
CID 143010099
but-2-ene;hex-2-ene;oct-4-ene;ruthenium
CID 161087465
(Z)-hex-2-ene;(E)-hex-2-ene;(E)-hex-3-ene
CID 173035981
hexane;(Z)-hex-2-ene
CID 159343029
(E)-hept-5-enamide
CID 18415105
(Z)-dec-6-enamide
CID 147399879
(E)-hex-2-enoic acid
CID 5282707
acetaldehyde;hexane;bis((E)-hex-2-ene);pentane
CID 160632813
(E)-hex-2-enamide;hydrochloride
CID 141291310

Frequently Asked Questions

What is the IUPAC name of carbamic acid;(E)-hex-2-ene?
The IUPAC name of carbamic acid;(E)-hex-2-ene (CID 174912639) is carbamic acid;(E)-hex-2-ene.
What is the SMILES notation for carbamic acid;(E)-hex-2-ene?
The canonical SMILES for carbamic acid;(E)-hex-2-ene is C/C=C/CCC.NC(=O)O.
What is the InChIKey of carbamic acid;(E)-hex-2-ene?
The InChIKey is IRJQLXGBDIHGPI-WGCWOXMQSA-N. The full InChI is InChI=1S/C6H12.CH3NO2/c1-3-5-6-4-2;2-1(3)4/h3,5H,4,6H2,1-2H3;2H2,(H,3,4)/b5-3+;.
What are the key properties of carbamic acid;(E)-hex-2-ene?
carbamic acid;(E)-hex-2-ene has a molecular weight of 145.20 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;(E)-hex-2-ene is sourced from PubChem (CID 174912639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).