hex-1-en-2-ylcarbamic acid

C7H13NO2 — CID 88505899

IUPAChex-1-en-2-ylcarbamic acid
SMILESC=C(CCCC)NC(=O)O
InChIInChI=1S/C7H13NO2/c1-3-4-5-6(2)8-7(9)10/h8H,2-5H2,1H3,(H,9,10)
InChIKeyOWVUKJPIDQBRFP-UHFFFAOYSA-N
MW143.19 g/mol
LogP1.96
Rot. Bonds4

About hex-1-en-2-ylcarbamic acid

hex-1-en-2-ylcarbamic acid (PubChem CID 88505899) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is hex-1-en-2-ylcarbamic acid.

Molecular Properties

Compound Namehex-1-en-2-ylcarbamic acid
PubChem CID88505899
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Namehex-1-en-2-ylcarbamic acid
SMILESC=C(CCCC)NC(=O)O
InChIInChI=1S/C7H13NO2/c1-3-4-5-6(2)8-7(9)10/h8H,2-5H2,1H3,(H,9,10)
InChIKeyOWVUKJPIDQBRFP-UHFFFAOYSA-N
XLogP1.96
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(pentanoylamino)prop-2-enoic acid
CID 87954179
3-methylideneheptanoic acid
CID 13159262
2-methylidenehexanoic acid;zinc
CID 174824467
ethane;2-methylidenehexanoic acid
CID 162072915
2-hydroxynon-1-en-4-one
CID 87923042
3-(hex-1-en-2-ylamino)heptan-4-one
CID 129043432
pentanoic acid;silver
CID 87285302
ethane;pentanoic acid
CID 142198531
CID 159436476
CID 159436476
lanthanum;pentanoic acid
CID 88604988
pentanoic acid;stannane
CID 173249748
2-(octadecanoylamino)prop-2-enoic acid
CID 126504560

Frequently Asked Questions

What is the IUPAC name of hex-1-en-2-ylcarbamic acid?
The IUPAC name of hex-1-en-2-ylcarbamic acid (CID 88505899) is hex-1-en-2-ylcarbamic acid.
What is the SMILES notation for hex-1-en-2-ylcarbamic acid?
The canonical SMILES for hex-1-en-2-ylcarbamic acid is C=C(CCCC)NC(=O)O.
What is the InChIKey of hex-1-en-2-ylcarbamic acid?
The InChIKey is OWVUKJPIDQBRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-3-4-5-6(2)8-7(9)10/h8H,2-5H2,1H3,(H,9,10).
What are the key properties of hex-1-en-2-ylcarbamic acid?
hex-1-en-2-ylcarbamic acid has a molecular weight of 143.19 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hex-1-en-2-ylcarbamic acid is sourced from PubChem (CID 88505899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).