1-(prop-2-enylamino)pent-4-en-2-yl carbamate

C9H16N2O2 — CID 175192982

IUPAC1-(prop-2-enylamino)pent-4-en-2-yl carbamate
SMILESC=CCNCC(CC=C)OC(N)=O
InChIInChI=1S/C9H16N2O2/c1-3-5-8(13-9(10)12)7-11-6-4-2/h3-4,8,11H,1-2,5-7H2,(H2,10,12)
InChIKeyIPRKGHJFXJBNQC-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.80
Rot. Bonds7

About 1-(prop-2-enylamino)pent-4-en-2-yl carbamate

1-(prop-2-enylamino)pent-4-en-2-yl carbamate (PubChem CID 175192982) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-(prop-2-enylamino)pent-4-en-2-yl carbamate.

Molecular Properties

Compound Name1-(prop-2-enylamino)pent-4-en-2-yl carbamate
PubChem CID175192982
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1-(prop-2-enylamino)pent-4-en-2-yl carbamate
SMILESC=CCNCC(CC=C)OC(N)=O
InChIInChI=1S/C9H16N2O2/c1-3-5-8(13-9(10)12)7-11-6-4-2/h3-4,8,11H,1-2,5-7H2,(H2,10,12)
InChIKeyIPRKGHJFXJBNQC-UHFFFAOYSA-N
XLogP0.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(prop-2-enylamino)pent-4-en-2-yl carbamate?
The IUPAC name of 1-(prop-2-enylamino)pent-4-en-2-yl carbamate (CID 175192982) is 1-(prop-2-enylamino)pent-4-en-2-yl carbamate.
What is the SMILES notation for 1-(prop-2-enylamino)pent-4-en-2-yl carbamate?
The canonical SMILES for 1-(prop-2-enylamino)pent-4-en-2-yl carbamate is C=CCNCC(CC=C)OC(N)=O.
What is the InChIKey of 1-(prop-2-enylamino)pent-4-en-2-yl carbamate?
The InChIKey is IPRKGHJFXJBNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-3-5-8(13-9(10)12)7-11-6-4-2/h3-4,8,11H,1-2,5-7H2,(H2,10,12).
What are the key properties of 1-(prop-2-enylamino)pent-4-en-2-yl carbamate?
1-(prop-2-enylamino)pent-4-en-2-yl carbamate has a molecular weight of 184.24 g/mol, XLogP of 0.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(prop-2-enylamino)pent-4-en-2-yl carbamate is sourced from PubChem (CID 175192982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).