[(2S)-1-hydroxypent-4-en-2-yl] carbamate

C6H11NO3 — CID 175099114

IUPAC[(2S)-1-hydroxypent-4-en-2-yl] carbamate
SMILESC=CC[C@@H](CO)OC(N)=O
InChIInChI=1S/C6H11NO3/c1-2-3-5(4-8)10-6(7)9/h2,5,8H,1,3-4H2,(H2,7,9)/t5-/m0/s1
InChIKeyGFJSJSBBYJZJSN-YFKPBYRVSA-N
MW145.16 g/mol
LogP0.02
Rot. Bonds4

About [(2S)-1-hydroxypent-4-en-2-yl] carbamate

[(2S)-1-hydroxypent-4-en-2-yl] carbamate (PubChem CID 175099114) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is [(2S)-1-hydroxypent-4-en-2-yl] carbamate.

Molecular Properties

Compound Name[(2S)-1-hydroxypent-4-en-2-yl] carbamate
PubChem CID175099114
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name[(2S)-1-hydroxypent-4-en-2-yl] carbamate
SMILESC=CC[C@@H](CO)OC(N)=O
InChIInChI=1S/C6H11NO3/c1-2-3-5(4-8)10-6(7)9/h2,5,8H,1,3-4H2,(H2,7,9)/t5-/m0/s1
InChIKeyGFJSJSBBYJZJSN-YFKPBYRVSA-N
XLogP0.02
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.02
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

7-hydroxyhept-1-en-4-yl carbamate
CID 175099859
2-methoxypent-4-en-1-ol
CID 90985403
(2-carbamoyloxy-3-hydroxypropyl) hydrogen carbonate
CID 87233218
hepta-1,6-dien-4-yl (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 139898577
[(2S)-1-hydroxy-4,4-dimethylpentan-2-yl] carbamate
CID 87120669
4-hepta-1,6-dien-4-yloxyhepta-1,6-diene
CID 23055063
3-(1-hydroxyhex-5-en-3-yloxy)hex-5-en-1-ol
CID 139513174
1-phenylbut-3-enyl carbamate
CID 126509930
penta-1,4-dien-3-yl carbamate
CID 55284689
(1-hydroxy-3,3-dimethylhept-6-en-2-yl) carbamate
CID 175585299
2-(2-methoxyethoxymethoxy)pent-4-en-1-ol
CID 74389573
(3-hydroxy-2-undec-10-enoyloxypropyl) undec-10-enoate
CID 13365715

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-hydroxypent-4-en-2-yl] carbamate?
The IUPAC name of [(2S)-1-hydroxypent-4-en-2-yl] carbamate (CID 175099114) is [(2S)-1-hydroxypent-4-en-2-yl] carbamate.
What is the SMILES notation for [(2S)-1-hydroxypent-4-en-2-yl] carbamate?
The canonical SMILES for [(2S)-1-hydroxypent-4-en-2-yl] carbamate is C=CC[C@@H](CO)OC(N)=O.
What is the InChIKey of [(2S)-1-hydroxypent-4-en-2-yl] carbamate?
The InChIKey is GFJSJSBBYJZJSN-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H11NO3/c1-2-3-5(4-8)10-6(7)9/h2,5,8H,1,3-4H2,(H2,7,9)/t5-/m0/s1.
What are the key properties of [(2S)-1-hydroxypent-4-en-2-yl] carbamate?
[(2S)-1-hydroxypent-4-en-2-yl] carbamate has a molecular weight of 145.16 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-hydroxypent-4-en-2-yl] carbamate is sourced from PubChem (CID 175099114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).