carbamic acid;(Z)-hex-3-ene

C7H15NO2 — CID 158256779

IUPACcarbamic acid;(Z)-hex-3-ene
SMILESCC/C=C\CC.NC(=O)O
InChIInChI=1S/C6H12.CH3NO2/c1-3-5-6-4-2;2-1(3)4/h5-6H,3-4H2,1-2H3;2H2,(H,3,4)/b6-5-;
InChIKeyGHJNSYFRQBEACN-YSMBQZINSA-N
MW145.20 g/mol
LogP1.99
Rot. Bonds2

About carbamic acid;(Z)-hex-3-ene

carbamic acid;(Z)-hex-3-ene (PubChem CID 158256779) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is carbamic acid;(Z)-hex-3-ene.

Molecular Properties

Compound Namecarbamic acid;(Z)-hex-3-ene
PubChem CID158256779
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Namecarbamic acid;(Z)-hex-3-ene
SMILESCC/C=C\CC.NC(=O)O
InChIInChI=1S/C6H12.CH3NO2/c1-3-5-6-4-2;2-1(3)4/h5-6H,3-4H2,1-2H3;2H2,(H,3,4)/b6-5-;
InChIKeyGHJNSYFRQBEACN-YSMBQZINSA-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

carbamic acid;hex-3-ene
CID 175321124
acetic acid;(Z)-hex-3-ene
CID 87142970
(Z)-hex-3-ene;propanoic acid
CID 174827236
icosa-2,5,8,11,14,17-hexaenamide
CID 91451907
(2Z)-nona-2,6-dienamide
CID 87394391
(E)-pent-2-enoic acid
CID 638122
(2E,8Z)-undeca-2,8-dienamide
CID 87669666
2,2-dimethyloct-5-enamide
CID 174985624
octadec-15-enamide
CID 54276805
hept-4-enoic acid;hydrochloride
CID 143782457
(3E,6E,9E,12E,15E)-octadeca-3,6,9,12,15-pentaenoic acid
CID 5312510
(3E,5E)-octa-3,5-dienamide
CID 55289592

Frequently Asked Questions

What is the IUPAC name of carbamic acid;(Z)-hex-3-ene?
The IUPAC name of carbamic acid;(Z)-hex-3-ene (CID 158256779) is carbamic acid;(Z)-hex-3-ene.
What is the SMILES notation for carbamic acid;(Z)-hex-3-ene?
The canonical SMILES for carbamic acid;(Z)-hex-3-ene is CC/C=C\CC.NC(=O)O.
What is the InChIKey of carbamic acid;(Z)-hex-3-ene?
The InChIKey is GHJNSYFRQBEACN-YSMBQZINSA-N. The full InChI is InChI=1S/C6H12.CH3NO2/c1-3-5-6-4-2;2-1(3)4/h5-6H,3-4H2,1-2H3;2H2,(H,3,4)/b6-5-;.
What are the key properties of carbamic acid;(Z)-hex-3-ene?
carbamic acid;(Z)-hex-3-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;(Z)-hex-3-ene is sourced from PubChem (CID 158256779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).