tert-butyl N-(1-cyanopent-3-enyl)-N-(2-hydroxypropan-2-yl)carbamate

C14H24N2O3 — CID 123851967

IUPACtert-butyl N-(1-cyanopent-3-enyl)-N-(2-hydroxypropan-2-yl)carbamate
SMILESCC=CCC(C#N)N(C(=O)OC(C)(C)C)C(C)(C)O
InChIInChI=1S/C14H24N2O3/c1-7-8-9-11(10-15)16(14(5,6)18)12(17)19-13(2,3)4/h7-8,11,18H,9H2,1-6H3
InChIKeyPANSGPABMHDWJH-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.81
Rot. Bonds4

About tert-butyl N-(1-cyanopent-3-enyl)-N-(2-hydroxypropan-2-yl)carbamate

tert-butyl N-(1-cyanopent-3-enyl)-N-(2-hydroxypropan-2-yl)carbamate (PubChem CID 123851967) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is tert-butyl N-(1-cyanopent-3-enyl)-N-(2-hydroxypropan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-cyanopent-3-enyl)-N-(2-hydroxypropan-2-yl)carbamate
PubChem CID123851967
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Nametert-butyl N-(1-cyanopent-3-enyl)-N-(2-hydroxypropan-2-yl)carbamate
SMILESCC=CCC(C#N)N(C(=O)OC(C)(C)C)C(C)(C)O
InChIInChI=1S/C14H24N2O3/c1-7-8-9-11(10-15)16(14(5,6)18)12(17)19-13(2,3)4/h7-8,11,18H,9H2,1-6H3
InChIKeyPANSGPABMHDWJH-UHFFFAOYSA-N
XLogP2.81
TPSA73.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze tert-butyl N-(1-cyanopent-3-enyl)-N-(2-hydroxypropan-2-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[(E)-but-2-enyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 11777975
tert-butyl N-amino-N-[(E)-but-2-enyl]carbamate
CID 131234947
tert-butyl N-[(E,2R)-1-hydroxyhex-4-en-2-yl]carbamate
CID 97300100
tert-butyl 2-ethylhex-4-enoate
CID 141287366
tert-butyl N-(1-oxohex-4-en-2-yl)carbamate
CID 71437064
tert-butyl N-[(2S)-1-cyanopropan-2-yl]-N-methylcarbamate
CID 52908331
tert-butyl hex-4-enoate
CID 86102608
tert-butyl N-(cyanomethyl)-N-[2-[cyanomethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate
CID 23299905
tert-butyl N-methyl-N-pentan-3-ylcarbamate
CID 63787817
(3S)-3-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-oxobutanoic acid
CID 54552976
tert-butyl N-(cyanomethyl)-N-[(2S)-2-hydroxypropyl]carbamate
CID 97184665
tert-butyl N-(cyanomethyl)-N-prop-2-ynylcarbamate
CID 130483940

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-cyanopent-3-enyl)-N-(2-hydroxypropan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(1-cyanopent-3-enyl)-N-(2-hydroxypropan-2-yl)carbamate (CID 123851967) is tert-butyl N-(1-cyanopent-3-enyl)-N-(2-hydroxypropan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-cyanopent-3-enyl)-N-(2-hydroxypropan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-cyanopent-3-enyl)-N-(2-hydroxypropan-2-yl)carbamate is CC=CCC(C#N)N(C(=O)OC(C)(C)C)C(C)(C)O.
What is the InChIKey of tert-butyl N-(1-cyanopent-3-enyl)-N-(2-hydroxypropan-2-yl)carbamate?
The InChIKey is PANSGPABMHDWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-7-8-9-11(10-15)16(14(5,6)18)12(17)19-13(2,3)4/h7-8,11,18H,9H2,1-6H3.
What are the key properties of tert-butyl N-(1-cyanopent-3-enyl)-N-(2-hydroxypropan-2-yl)carbamate?
tert-butyl N-(1-cyanopent-3-enyl)-N-(2-hydroxypropan-2-yl)carbamate has a molecular weight of 268.36 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-cyanopent-3-enyl)-N-(2-hydroxypropan-2-yl)carbamate is sourced from PubChem (CID 123851967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).