benzyl carbamate;(Z)-N-cyclopropylhex-2-enamide;molecular hydrogen

C17H26N2O3 — CID 144746977

IUPACbenzyl carbamate;(Z)-N-cyclopropylhex-2-enamide;molecular hydrogen
SMILESCCC/C=C\C(=O)NC1CC1.NC(=O)OCc1ccccc1.[H][H]
InChIInChI=1S/C9H15NO.C8H9NO2.H2/c1-2-3-4-5-9(11)10-8-6-7-8;9-8(10)11-6-7-4-2-1-3-5-7;/h4-5,8H,2-3,6-7H2,1H3,(H,10,11);1-5H,6H2,(H2,9,10);1H/b5-4-;;
InChIKeyRGOCNZDHOUWKSS-WNCVTPEDSA-N
MW306.41 g/mol
LogP3.15
Rot. Bonds6

About benzyl carbamate;(Z)-N-cyclopropylhex-2-enamide;molecular hydrogen

benzyl carbamate;(Z)-N-cyclopropylhex-2-enamide;molecular hydrogen (PubChem CID 144746977) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is benzyl carbamate;(Z)-N-cyclopropylhex-2-enamide;molecular hydrogen.

Molecular Properties

Compound Namebenzyl carbamate;(Z)-N-cyclopropylhex-2-enamide;molecular hydrogen
PubChem CID144746977
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Namebenzyl carbamate;(Z)-N-cyclopropylhex-2-enamide;molecular hydrogen
SMILESCCC/C=C\C(=O)NC1CC1.NC(=O)OCc1ccccc1.[H][H]
InChIInChI=1S/C9H15NO.C8H9NO2.H2/c1-2-3-4-5-9(11)10-8-6-7-8;9-8(10)11-6-7-4-2-1-3-5-7;/h4-5,8H,2-3,6-7H2,1H3,(H,10,11);1-5H,6H2,(H2,9,10);1H/b5-4-;;
InChIKeyRGOCNZDHOUWKSS-WNCVTPEDSA-N
XLogP3.15
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

benzyl hex-2-enoate
CID 3828590
benzyl N-(4-propylcyclohexyl)carbamate
CID 130580975
benzyl carbamate;heptahydrochloride
CID 141351835
benzyl carbamate;cyclohexanecarbaldehyde
CID 142103337
benzyl carbamate;N-prop-2-enylcyclohexanamine
CID 156861851
benzyl N-(4-carbamoylcyclohexyl)carbamate;N,N-diethylethanamine
CID 157386360
benzyl N-(4-iodocyclohexyl)carbamate
CID 66569099
benzyl N-[4-[[4-(phenylmethoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
CID 10345017
tert-butyl (E)-3-[4-(phenylmethoxycarbonylamino)cyclohexyl]prop-2-enoate
CID 67722160
benzyl N-[(3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]carbamate
CID 59716955
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
benzyl N-[(3S)-1-(cyclopropylamino)-1-oxohexan-3-yl]carbamate
CID 71168695

Frequently Asked Questions

What is the IUPAC name of benzyl carbamate;(Z)-N-cyclopropylhex-2-enamide;molecular hydrogen?
The IUPAC name of benzyl carbamate;(Z)-N-cyclopropylhex-2-enamide;molecular hydrogen (CID 144746977) is benzyl carbamate;(Z)-N-cyclopropylhex-2-enamide;molecular hydrogen.
What is the SMILES notation for benzyl carbamate;(Z)-N-cyclopropylhex-2-enamide;molecular hydrogen?
The canonical SMILES for benzyl carbamate;(Z)-N-cyclopropylhex-2-enamide;molecular hydrogen is CCC/C=C\C(=O)NC1CC1.NC(=O)OCc1ccccc1.[H][H].
What is the InChIKey of benzyl carbamate;(Z)-N-cyclopropylhex-2-enamide;molecular hydrogen?
The InChIKey is RGOCNZDHOUWKSS-WNCVTPEDSA-N. The full InChI is InChI=1S/C9H15NO.C8H9NO2.H2/c1-2-3-4-5-9(11)10-8-6-7-8;9-8(10)11-6-7-4-2-1-3-5-7;/h4-5,8H,2-3,6-7H2,1H3,(H,10,11);1-5H,6H2,(H2,9,10);1H/b5-4-;;.
What are the key properties of benzyl carbamate;(Z)-N-cyclopropylhex-2-enamide;molecular hydrogen?
benzyl carbamate;(Z)-N-cyclopropylhex-2-enamide;molecular hydrogen has a molecular weight of 306.41 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl carbamate;(Z)-N-cyclopropylhex-2-enamide;molecular hydrogen is sourced from PubChem (CID 144746977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).