bicyclo[3.1.0]hexan-3-amine;formic acid;pent-3-enylcarbamic acid

C13H24N2O4 — CID 175815417

IUPACbicyclo[3.1.0]hexan-3-amine;formic acid;pent-3-enylcarbamic acid
SMILESCC=CCCNC(=O)O.NC1CC2CC2C1.O=CO
InChIInChI=1S/C6H11NO2.C6H11N.CH2O2/c1-2-3-4-5-7-6(8)9;7-6-2-4-1-5(4)3-6;2-1-3/h2-3,7H,4-5H2,1H3,(H,8,9);4-6H,1-3,7H2;1H,(H,2,3)
InChIKeyBZIFVHJZSBVQKF-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.66
Rot. Bonds3

About bicyclo[3.1.0]hexan-3-amine;formic acid;pent-3-enylcarbamic acid

bicyclo[3.1.0]hexan-3-amine;formic acid;pent-3-enylcarbamic acid (PubChem CID 175815417) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is bicyclo[3.1.0]hexan-3-amine;formic acid;pent-3-enylcarbamic acid.

Molecular Properties

Compound Namebicyclo[3.1.0]hexan-3-amine;formic acid;pent-3-enylcarbamic acid
PubChem CID175815417
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Namebicyclo[3.1.0]hexan-3-amine;formic acid;pent-3-enylcarbamic acid
SMILESCC=CCCNC(=O)O.NC1CC2CC2C1.O=CO
InChIInChI=1S/C6H11NO2.C6H11N.CH2O2/c1-2-3-4-5-7-6(8)9;7-6-2-4-1-5(4)3-6;2-1-3/h2-3,7H,4-5H2,1H3,(H,8,9);4-6H,1-3,7H2;1H,(H,2,3)
InChIKeyBZIFVHJZSBVQKF-UHFFFAOYSA-N
XLogP1.66
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[(E)-pent-3-enyl]cyclopropane-1-carboxamide
CID 115627883
2-chloro-N-[(E)-pent-3-enyl]acetamide
CID 115879893
ethyl N-[(E)-pent-3-enyl]carbamate
CID 115628418
N-[(E)-pent-3-enyl]piperidine-4-carboxamide
CID 115976386
N-[2-[[(E)-pent-3-enyl]amino]ethyl]acetamide
CID 107529943
1-(4-methylphenyl)-3-[(E)-pent-3-enyl]urea
CID 115629212
3,5-dimethyl-4-[[(E)-pent-3-enyl]carbamoyl]-1H-pyrrole-2-carboxylic acid
CID 113466119
formic acid;3-methylcyclobutan-1-amine
CID 175472209
4-[[(E)-pent-3-enyl]carbamoyl]benzoic acid
CID 115910429
pent-3-enyl acetate
CID 54089070
5-bromo-N-[(E)-pent-3-enyl]pentanamide
CID 107910578
4-cyanobut-3-enylcarbamic acid
CID 173195058

Frequently Asked Questions

What is the IUPAC name of bicyclo[3.1.0]hexan-3-amine;formic acid;pent-3-enylcarbamic acid?
The IUPAC name of bicyclo[3.1.0]hexan-3-amine;formic acid;pent-3-enylcarbamic acid (CID 175815417) is bicyclo[3.1.0]hexan-3-amine;formic acid;pent-3-enylcarbamic acid.
What is the SMILES notation for bicyclo[3.1.0]hexan-3-amine;formic acid;pent-3-enylcarbamic acid?
The canonical SMILES for bicyclo[3.1.0]hexan-3-amine;formic acid;pent-3-enylcarbamic acid is CC=CCCNC(=O)O.NC1CC2CC2C1.O=CO.
What is the InChIKey of bicyclo[3.1.0]hexan-3-amine;formic acid;pent-3-enylcarbamic acid?
The InChIKey is BZIFVHJZSBVQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.C6H11N.CH2O2/c1-2-3-4-5-7-6(8)9;7-6-2-4-1-5(4)3-6;2-1-3/h2-3,7H,4-5H2,1H3,(H,8,9);4-6H,1-3,7H2;1H,(H,2,3).
What are the key properties of bicyclo[3.1.0]hexan-3-amine;formic acid;pent-3-enylcarbamic acid?
bicyclo[3.1.0]hexan-3-amine;formic acid;pent-3-enylcarbamic acid has a molecular weight of 272.34 g/mol, XLogP of 1.66, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[3.1.0]hexan-3-amine;formic acid;pent-3-enylcarbamic acid is sourced from PubChem (CID 175815417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).