(E)-3-methyl-N-propan-2-ylhept-2-enehydrazide

C11H22N2O — CID 118687101

IUPAC(E)-3-methyl-N-propan-2-ylhept-2-enehydrazide
SMILESCCCC/C(C)=C/C(=O)N(N)C(C)C
InChIInChI=1S/C11H22N2O/c1-5-6-7-10(4)8-11(14)13(12)9(2)3/h8-9H,5-7,12H2,1-4H3/b10-8+
InChIKeyQZJQYBXQKBBTFV-CSKARUKUSA-N
MW198.31 g/mol
LogP2.23
Rot. Bonds5

About (E)-3-methyl-N-propan-2-ylhept-2-enehydrazide

(E)-3-methyl-N-propan-2-ylhept-2-enehydrazide (PubChem CID 118687101) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (E)-3-methyl-N-propan-2-ylhept-2-enehydrazide.

Molecular Properties

Compound Name(E)-3-methyl-N-propan-2-ylhept-2-enehydrazide
PubChem CID118687101
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(E)-3-methyl-N-propan-2-ylhept-2-enehydrazide
SMILESCCCC/C(C)=C/C(=O)N(N)C(C)C
InChIInChI=1S/C11H22N2O/c1-5-6-7-10(4)8-11(14)13(12)9(2)3/h8-9H,5-7,12H2,1-4H3/b10-8+
InChIKeyQZJQYBXQKBBTFV-CSKARUKUSA-N
XLogP2.23
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl 3-methylhept-2-enoate
CID 123660436
3-methylpentadec-2-enamide
CID 174903366
N-methoxy-N,3-dimethyldec-2-enamide
CID 142294776
(E)-4-methyldodec-3-en-2-one
CID 19609505
4-methylundec-3-en-2-one
CID 103970939
(Z)-4-methylundec-3-en-2-one
CID 121464257
3-[amino-[(E)-3-methylpent-2-enoyl]amino]-4-methylpentanoic acid
CID 118686974
(Z)-12-methylhenicos-11-en-10-one
CID 122379193
methyl 2-[amino-[(E)-3-methylhex-2-enoyl]amino]-2-(oxetan-3-yl)acetate
CID 118687045
ethyl (Z)-3-methylundec-2-enoate
CID 89095878
(E)-N-ethenyl-3-methylhept-2-enamide
CID 121464271
methyl (Z)-3-methyloct-2-enoate
CID 14332772

Frequently Asked Questions

What is the IUPAC name of (E)-3-methyl-N-propan-2-ylhept-2-enehydrazide?
The IUPAC name of (E)-3-methyl-N-propan-2-ylhept-2-enehydrazide (CID 118687101) is (E)-3-methyl-N-propan-2-ylhept-2-enehydrazide.
What is the SMILES notation for (E)-3-methyl-N-propan-2-ylhept-2-enehydrazide?
The canonical SMILES for (E)-3-methyl-N-propan-2-ylhept-2-enehydrazide is CCCC/C(C)=C/C(=O)N(N)C(C)C.
What is the InChIKey of (E)-3-methyl-N-propan-2-ylhept-2-enehydrazide?
The InChIKey is QZJQYBXQKBBTFV-CSKARUKUSA-N. The full InChI is InChI=1S/C11H22N2O/c1-5-6-7-10(4)8-11(14)13(12)9(2)3/h8-9H,5-7,12H2,1-4H3/b10-8+.
What are the key properties of (E)-3-methyl-N-propan-2-ylhept-2-enehydrazide?
(E)-3-methyl-N-propan-2-ylhept-2-enehydrazide has a molecular weight of 198.31 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-N-propan-2-ylhept-2-enehydrazide is sourced from PubChem (CID 118687101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).